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	hartrees
Energy at 0K	-34.455523
Energy at 298.15K	-34.459630
HF Energy	-34.455523
Nuclear repulsion energy	17.229880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2675	2419	192.00
2	A₁	2308	2087	221.42
3	A₁	1332	1205	150.92
4	A₁	678	614	181.86
5	E	2228	2014	491.99
5	E	2228	2014	491.99
6	E	1355	1226	7.35
6	E	1355	1226	7.35
7	E	1215	1098	59.61
7	E	1215	1098	59.61
8	E	486	440	2.78
8	E	486	440	2.78

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.450
B2	0.000	0.000	0.513
H3	0.000	0.000	1.707
H4	0.000	1.152	0.026
H5	0.997	-0.576	0.026
H6	-0.997	-0.576	0.026

	Li1	B2	H3	H4	H5	H6
Li1		1.9627	3.1570	1.8716	1.8716	1.8716
B2	1.9627		1.1943	1.2505	1.2505	1.2505
H3	3.1570	1.1943		2.0381	2.0381	2.0381
H4	1.8716	1.2505	2.0381		1.9946	1.9946
H5	1.8716	1.2505	2.0381	1.9946		1.9946
H6	1.8716	1.2505	2.0381	1.9946	1.9946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	67.065
Li1	B2	H5	67.065	Li1	B2	H6	67.065
Li1	H4	B2	74.961	Li1	H5	B2	74.961
Li1	H6	B2	74.961	H3	B2	H4	112.935
H3	B2	H5	112.935	H3	B2	H6	112.935
H4	B2	H5	105.796	H4	B2	H6	105.796
H5	B2	H6	105.796

All results from a given calculation for LiBH₄ (Lithium borohydride)

using model chemistry: HF/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Li	0.678
2	B	-0.266
3	H	-0.089
4	H	-0.107
5	H	-0.107
6	H	-0.107

	x	y	z	Total
	0.000	0.000	-6.370	6.370
CHELPG
AIM
ESP

<r²>	21.478
(<r²>)^1/2	4.634

All results from a given calculation for LiBH4 (Lithium borohydride)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for LiBH₄ (Lithium borohydride)